6208-0875 Screening compound: ethyl 4-{[4-(hydroxydiphenylmethyl)piperidine-1-carbothioyl]amino}benzoate

6208-0875 Screening compound: ethyl 4-{[4-(hydroxydiphenylmethyl)piperidine-1-carbothioyl]amino}benzoate
6208-0875 Screening compound: ethyl 4-{[4-(hydroxydiphenylmethyl)piperidine-1-carbothioyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0875
ethyl 4-{[4-(hydroxydiphenylmethyl)piperidine-1-carbothioyl]amino}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6208-0875

Molecular Formula

C28H30N2O3S (C28 H30 N2 O3 S)

Compound Name

ethyl 4-{[4-(hydroxydiphenylmethyl)piperidine-1-carbothioyl]amino}benzoate

IUPAC name

ethyl 4-{[4-(hydroxydiphenylmethyl)piperidine-1-carbothioyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CCC1C(c1ccccc1)(c1ccccc1)O)=S)=O

InChI

InChI=1S/C28H30N2O3S/c1-2-33-26(31)21-13-15-25(16-14-21)29-27(34)30-19-17-24(18-20-30)28(32,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,24,32H,2,17-20H2,1H3,(H,29,34)

InChI Key

XUWXTNSFSYMELC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03760301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.897

Distribution Coefficient, logD

5.897

Water Solubility, LogSw

-5.47

Polar Surface Area

46.415

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6208-0875 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6208-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0875?
Check Price and Availability of 6208-0875, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6208-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0875
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6208-0875 available by request